2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol

C10H15Cl2NOS — CID 3046794

IUPAC2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sc(Cl)cc1Cl
InChIInChI=1S/C10H15Cl2NOS/c1-10(2,3)13-5-7(14)9-6(11)4-8(12)15-9/h4,7,13-14H,5H2,1-3H3
InChIKeyNZVKOYFQECRSTI-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.48
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol

2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol (PubChem CID 3046794) has the molecular formula C10H15Cl2NOS and a molecular weight of 268.21 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol
PubChem CID3046794
Molecular FormulaC10H15Cl2NOS
Molecular Weight268.21 g/mol
Exact Mass267.03
IUPAC Name2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sc(Cl)cc1Cl
InChIInChI=1S/C10H15Cl2NOS/c1-10(2,3)13-5-7(14)9-6(11)4-8(12)15-9/h4,7,13-14H,5H2,1-3H3
InChIKeyNZVKOYFQECRSTI-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol (CID 3046794) is 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol is CC(C)(C)NCC(O)c1sc(Cl)cc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol?
The InChIKey is NZVKOYFQECRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NOS/c1-10(2,3)13-5-7(14)9-6(11)4-8(12)15-9/h4,7,13-14H,5H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol?
2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol has a molecular weight of 268.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,5-dichlorothiophen-2-yl)ethanol is sourced from PubChem (CID 3046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).